[2-(1-adamantylamino)-2-oxidanylidene-ethyl] 2-oxidanyl-3,5-di(propan-2-yl)benzoate

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] 2-oxidanyl-3,5-di(propan-2-yl)benzoate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] 2-hydroxy-3,5-diisopropyl-benzoate CAS Name: 2-hydroxy-3,5-di(propan-2-yl)benzoic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] 2-hydroxy-3,5-di(propan-2-yl)benzoate Traditional Name: 2-hydroxy-3,5-diisopropyl-benzoic acid [2-(1-adamantylamino)-2-keto-ethyl] ester Formula: C25H35NO4 MolecularWeight: 413.5497

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=C(C(=C1)C(=O)OCC(=O)NC23CC4CC(C2)CC(C4)C3)O)C(C)C

Isomeric SMILES

CC(C)C1=CC(=C(C(=C1)C(=O)OCC(=O)NC23CC4CC(C2)CC(C4)C3)O)C(C)C

InChI

InChI=1S/C25H35NO4/c1-14(2)19-8-20(15(3)4)23(28)21(9-19)24(29)30-13-22(27)26-25-10-16-5-17(11-25)7-18(6-16)12-25/h8-9,14-18,28H,5-7,10-13H2,1-4H3,(H,26,27)